N3-(4-azanylbutyl)-N4-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidine-3,4-diamine

Systemtic Name: N3-(4-azanylbutyl)-N4-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidine-3,4-diamine Openeye Name: N3-(4-aminobutyl)-N4-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidine-3,4-diamine CAS Name: N3-(4-aminobutyl)-N4-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidine-3,4-diamine IUPAC Name: 3-N-(4-aminobutyl)-4-N-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidine-3,4-diamine Traditional Name: 4-aminobutyl-[4-(3-chloroanilino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]amine Formula: C15H18ClN7 MolecularWeight: 331.80332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)NC2=NC=NC3=C2C(=NN3)NCCCCN

Isomeric SMILES

C1=CC(=CC(=C1)Cl)NC2=NC=NC3=C2C(=NN3)NCCCCN

InChI

InChI=1S/C15H18ClN7/c16-10-4-3-5-11(8-10)21-13-12-14(18-7-2-1-6-17)22-23-15(12)20-9-19-13/h3-5,8-9H,1-2,6-7,17H2,(H3,18,19,20,21,22,23)